SCHEMBL2014743

SCHEMBL2014743

C=CCn1c(C)c(C(=O)O)c2cc(OC(C)=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
POLB P06746 5/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.42
PLA2G2A P14555 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2018241 0.81 GAA (0.56) KDM4EHTTHSD17B10MEN1KMT2A
SCHEMBL10840553 0.81 KDM4E (0.78) KDM4EPOLBHTTHSD17B10MEN1
SCHEMBL10840421 0.81 PLA2G2A (0.62) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL12874096 0.78 POLB (0.82) KDM4EPOLBHTTHSD17B10MEN1
SCHEMBL2969551 0.77 KDM4E (0.54) KDM4EPOLBHSD17B10MEN1KMT2A
SCHEMBL13078121 0.75 SMN1; SMN2 (0.42) KDM4EPOLBHTTHSD17B10MEN1
SCHEMBL2977504 0.73 PPARG (0.45) KDM4EMAPT
SCHEMBL2978448 0.73 MAPT (0.53) POLBMEN1KMT2AGAAMAPT
SCHEMBL31693313 0.70 GAA (0.72) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL2982065 0.69 MAPT (0.44) MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960427-B2 Antivirals against Hepatitis B, HIV, and influenza viruses; e.g. ethyl 2-[(benzo[d]imidazol-2-yl)thiomethyl]-6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-1H-indole-3-carboxylate SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-06-14 US disclosed
US-20080249155-A1 5-Hydroxyindole-3-Carboxylate Derivatives and Uses Thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2008-10-09 US disclosed
EP-1731506-A1 5-HYDROXYINDOLE-3-CARBOXYLATES DERIVATIVES AND THEIR USE Shenyang Pharmaceutical University (CN) 2006-12-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249155-A1 5-Hydroxyindole-3-Carboxylate Derivatives and Uses Thereof TPH1, HTR3C, IDO1 KDM4E 1867/4885POLB 2156/4885HTT 630/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.